4-morpholin-4-yl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridin-1-ium-2-carboxamide

Systemtic Name: 4-morpholin-4-yl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridin-1-ium-2-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: 4-(4-morpholinyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-pyridin-1-iumcarboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-morpholino-pyridin-1-ium-2-carboxamide Formula: C21H28N4O2+2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2/c26-21(20-14-19(6-8-22-20)25-10-12-27-13-11-25)23-18-7-9-24(16-18)15-17-4-2-1-3-5-17/h1-6,8,14,18H,7,9-13,15-16H2,(H,23,26)/p+2/t18-/m1/s1